SCHEMBL9768667

SCHEMBL9768667

ClN(CCc1ccccc1)CCN(Cl)CCc1ccccc1.[Cu]

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 2/20 0.56
AOC3 Q16853 3/20 0.52
TDP1 Q9NUW8 3/20 0.48
MEN1 O00255 1/20 0.48
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
KMT2A Q03164 1/20 0.48
ALDH1A1 P00352 1/20 0.46
HPGD P15428 1/20 0.46
ALOX15 P16050 1/20 0.46
ALOX12 P18054 1/20 0.46
CASP1 P29466 1/20 0.46
HSD17B10 Q99714 1/20 0.46
SIGMAR1 Q99720 3/20 0.45
CYP2A6 P11509 1/20 0.44
HTR2A P28223 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
LOXL2 Q9Y4K0 1/20 0.44
OPRK1 P41145 1/20 0.44
CHRM2 P08172 1/20 0.43

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL10835329 0.97 TAAR1 (0.58) TAAR1AOC3TDP1MEN1NPC1
SCHEMBL14432408 0.83 OPRM1 (0.51) TAAR1AOC3SIGMAR1OPRK1CHRM2
SCHEMBL3377935 0.82 TAAR1 (0.58) TAAR1AOC3TDP1MEN1NPC1
SCHEMBL9768681 0.80 ALDH1A1 (0.48) TAAR1AOC3ALDH1A1HPGDALOX15
SCHEMBL28651481 0.79 TAAR1 (0.45) TAAR1AOC3TDP1MEN1NPC1
SCHEMBL3379254 0.78 TAAR1 (0.54) TAAR1AOC3TDP1MEN1NPC1
SCHEMBL10688523 0.78 TAAR1 (0.67) TAAR1AOC3TDP1MEN1NPC1
SCHEMBL1344100 0.76 OPRK1 (0.65) TAAR1AOC3TDP1ALDH1A1HPGD
SCHEMBL12049808 0.74 OPRK1 (0.63) TAAR1AOC3TDP1OPRK1CHRM2
SCHEMBL9618237 0.73 KCNH2 (0.57) AOC3SIGMAR1CHRM2HTR1AADRA2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5021187-A In aqueous solutions iwth peroxy compounds; antisoilants; hydrophobic stains LEVER BROTHERS COMPANY, DIVISION OF CONOPCO, INC. (US) 1991-06-04 US disclosed